Lapatinib

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Formula C29H27ClFN4O4S
IUPAC Name n-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]-6-[5-[(2-methylsulfonylethylamino)methyl]-2-furyl]quinazoline-1,3-diium-4a-id-4-amine
Molecular Mass 582.065 g·mol−1
Heat of Formation -370.8 ± 16.7 kJ·mol−1
Dipole Moment 6.67 ± 1.08 D
Volume 638.8 Å 3
Surface Area 514.17 Å 2
HOMO Energy -8.35 ± 0.55 eV
LUMO Energy -0.99 ± eV
Point Group Symmetry C1
Synonyms
  • [5-[4-[[3-chloro-4-(3-fluorobenzyl)oxy-phenyl]amino]quinazolin-6-yl]-2-furyl]methyl-(2-mesylethyl)amine
  • gsk 572016
  • gw572016
  • n-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]-6-[5-[(2-methylsulfonylethylamino)methyl]-2-furyl]-4-quinazolinamine
  • n-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]-6-[5-[(2-methylsulfonylethylamino)methyl]furan-2-yl]quinazolin-4-amine
CAS Number(s)
  • 231277-92-2
InChIKey BCFGMOOMADDAQU-UHFFFAOYSA-N
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